N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide

C12H24N4O2 — CID 70958043

IUPACN-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide
SMILESC[13C@@H]1CCC[13C@H]([13CH3])[15N]1CC(=O)NCCC(=O)NN
InChIInChI=1S/C12H24N4O2/c1-9-4-3-5-10(2)16(9)8-12(18)14-7-6-11(17)15-13/h9-10H,3-8,13H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/i1+1,9+1,10+1,16+1/m0/s1
InChIKeyXFKFYJUHKLOJOE-JJWTWEEKSA-N
MW260.32 g/mol
LogP-0.25
Rot. Bonds5

About N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide

N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide (PubChem CID 70958043) has the molecular formula C12H24N4O2 and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide
PubChem CID70958043
Molecular FormulaC12H24N4O2
Molecular Weight260.32 g/mol
Exact Mass260.20
IUPAC NameN-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide
SMILESC[13C@@H]1CCC[13C@H]([13CH3])[15N]1CC(=O)NCCC(=O)NN
InChIInChI=1S/C12H24N4O2/c1-9-4-3-5-10(2)16(9)8-12(18)14-7-6-11(17)15-13/h9-10H,3-8,13H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/i1+1,9+1,10+1,16+1/m0/s1
InChIKeyXFKFYJUHKLOJOE-JJWTWEEKSA-N
XLogP-0.25
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide?
The IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide (CID 70958043) is N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide is C[13C@@H]1CCC[13C@H]([13CH3])[15N]1CC(=O)NCCC(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide?
The InChIKey is XFKFYJUHKLOJOE-JJWTWEEKSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9-4-3-5-10(2)16(9)8-12(18)14-7-6-11(17)15-13/h9-10H,3-8,13H2,1-2H3,(H,14,18)(H,15,17)/t9-,10+/i1+1,9+1,10+1,16+1/m0/s1.
What are the key properties of N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide?
N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide has a molecular weight of 260.32 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide is sourced from PubChem (CID 70958043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).